UCSF

ZINC36155597

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 7.68 -11.33 2 9 0 106 445.516 10
Mid Mid (pH 6-8) 3.09 9.75 -41.96 3 9 1 107 446.524 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )